Epernicus: Marta Murcia, Ph.D.

Marta Murcia, Ph.D.

Position:
Program Manager

Life Sciences

New York Academy of Sciences (New York, NY)
Degrees:

Ph.D., Organic Chemistry, Complutense University of Madrid (Madrid, Spain)
Past Advisors:

Marta Filizola (as Faculty)

Barry S. Coller (as Visiting Faculty)

Marta Filizola (as Post Doctoral Fellow)

Barry S. Coller (as Post Doctoral Fellow)

Benoit Roux (as Post Doctoral Fellow)

Angel R. Ortiz (as Post Doctoral Fellow)
Research:
Computational chemistry and Biology. Drug Discovery

Structure-based projects related to biological relevant targets like integrins or GPCRs. Use of molecular modeling and simulations, docking algorithms, high-throughput screening and/or virtual screening of database for lead discovery, lead optimization, etc.
Honors:
2007 Stony Brook University Center for Biotechnology’s scholarship for attending the Fundamentals Program.

2002-2004 Fundación Ramón Areces Fellow.

2001 Pharma researcher fellowship

2001 Outstanding Ph.D. Thesis Award, Universidad

1999 Ramón Madroñero award from the Spanish Society of Therapeutic Chemistry (SEQT)

1997-2001 U.C.M. Predoctoral Fellowship.

Communities:

Marta Murcia's Genealogy

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Marta Murcia's Publications (18)

Structural and therapeutic insights from the species specificity and in vivo antithrombotic activity of a novel {alpha}IIb-specific {alpha}IIb{beta}3 antagonist.
Blue R, Kowalska MA, Hirsch J, Murcia M, Janczak CA, Harrington A, Jirouskova M, Li J, Fuentes R, Thornton MA, Filizola M, Poncz M, Coller BS

Blood. 2009 May 4
Functional and computational studies of the ligand-associated metal binding site of beta3 integrins.
Murcia M, Jirouskova M, Li J, Coller BS, Filizola M

Proteins. 2008 Jun;71(4):1779-91
Application of high-throughput screening to identify a novel alphaIIb-specific small- molecule inhibitor of alphaIIbbeta3-mediated platelet interaction with fibrinogen.
Blue R, Murcia M, Karan C, Jirousková M, Coller BS

Blood. 2008 Feb 1;111(3):1248-56
Mapping early conformational changes in alphaIIb and beta3 during biogenesis reveals a potential mechanism for alphaIIbbeta3 adopting its bent conformation.
Mitchell WB, Li J, Murcia M, Valentin N, Newman PJ, Coller BS

Blood. 2007 May 1;109(9):3725-32
Requirements and ontology for a G protein-coupled receptor oligomerization knowledge base.
Skrabanek L, Murcia M, Bouvier M, Devi L, George SR, Lohse MJ, Milligan G, Neubig R, Palczewski K, Parmentier M, Pin JP, Vriend G, Javitch JA, Campagne F, Filizola M

BMC bioinformatics. 2007;8:177
Modeling the structure of the StART domains of MLN64 and StAR proteins in complex with cholesterol.
Murcia M, Faráldo-Gómez JD, Maxfield FR, Roux B

Journal of lipid research. 2006 Dec;47(12):2614-30
Comparative binding energy analysis considering multiple receptors: a step toward 3D-QSAR models for multiple targets.
Murcia M, Morreale A, Ortiz AR

Journal of medicinal chemistry. 2006 Oct 19;49(21):6241-53
Computational approaches to model ligand selectivity in drug design.
Ortiz AR, Gomez-Puertas P, Leo-Macias A, Lopez-Romero P, Lopez-Viñas E, Morreale A, Murcia M, Wang K

Current topics in medicinal chemistry. 2006;6(1):41-55
Gaussian mapping of chemical fragments in ligand binding sites.
Wang K, Murcia M, Constans P, Pérez C, Ortiz AR

Journal of computer-aided molecular design. 2004 Feb;18(2):101-18
Virtual screening with flexible docking and COMBINE-based models. Application to a series of factor Xa inhibitors.
Murcia M, Ortiz AR

Journal of medicinal chemistry. 2004 Feb 12;47(4):805-20
Benzimidazole derivatives. 4. The recognition of the voluminous substituent attached to the basic amino group of 5-HT4 receptor antagonists.
López-Rodríguez ML, Benhamú B, Murcia M, Alvaro E, Campillo M, Pardo L

Journal of computer-aided molecular design. 2003 Aug;17(8):515-24
Benzimidazole derivatives. 3. 3D-QSAR/CoMFA model and computational simulation for the recognition of 5-HT(4) receptor antagonists.
López-Rodríguez ML, Murcia M, Benhamú B, Viso A, Campillo M, Pardo L

Journal of medicinal chemistry. 2002 Oct 24;45(22):4806-15
5-HT(4) receptor antagonists: structure-affinity relationships and ligand-receptor interactions.
López-Rodriguez ML, Benhamú B, Morcillo MJ, Murcia M, Viso A, Campillo M, Pardob L

Current topics in medicinal chemistry. 2002 Jun;2(6):625-41
3-D-QSAR/CoMFA and recognition models of benzimidazole derivatives at the 5-HT(4) receptor.
López-Rodríguez ML, Murcia M, Benhamú B, Viso A, Campillo M, Pardo L

Bioorganic & medicinal chemistry letters. 2001 Nov 5;11(21):2807-11
Computational model of the complex between GR113808 and the 5-HT4 receptor guided by site-directed mutagenesis and the crystal structure of rhodopsin.
López-Rodríguez ML, Murcia M, Benhamú B, Olivella M, Campillo M, Pardo L

Journal of computer-aided molecular design. 2001 Nov;15(11):1025-33
Benzimidazole derivatives. Part 1: Synthesis and structure-activity relationships of new benzimidazole-4-carboxamides and carboxylates as potent and selective 5-HT4 receptor antagonists.
López-Rodríguez ML, Benhamú B, Viso A, Morcillo MJ, Murcia M, Orensanz L, Alfaro MJ, Martín MI

Bioorganic & medicinal chemistry. 1999 Nov;7(11):2271-81
Synthesis of new (benzimidazolyl)piperazines with affinity for the 5-HT1A receptor via Pd(0) amination of bromobenzimidazoles.
López-Rodríguez ML, Viso A, Benhamú B, Rominguera JL, Murcia M

Bioorganic & medicinal chemistry letters. 1999 Aug 16;9(16):2339-42
Synthesis and structure-activity relationships of a new model of arylpiperazines. 3.1 2-[omega-(4-arylpiperazin-1-yl)alkyl]perhydropyrrolo- [1,2-c]imidazoles and -perhydroimidazo[1,5-a]pyridines: study of the influence of the terminal amide fragment on 5-
López-Rodríguez ML, Morcillo MJ, Fernández E, Porras E, Murcia M, Sanz AM, Orensanz L

Journal of medicinal chemistry. 1997 Aug 1;40(16):2653-6

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Marta Murcia, Ph.D.

Program Manager

Computational chemistry and Biology. Drug Discovery

Marta Murcia's Genealogy

Marta Murcia's Publications (18)